smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](CC(C)(C)C)CC2)cc(C)[nH+]1 ZINC000019698271 494455352 /nfs/dbraw/zinc/45/53/52/494455352.db2.gz YMVPEFLVGGIGFD-HXUWFJFHSA-N 2 0 358.530 3.242 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048082 494998485 /nfs/dbraw/zinc/99/84/85/494998485.db2.gz USMMEIKCFYMOMW-OAQYLSRUSA-N 2 0 369.484 3.476 40 0 FGABRP Cn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC000096047231 494998605 /nfs/dbraw/zinc/99/86/05/494998605.db2.gz NOJFOEMPOXNHOD-UHFFFAOYSA-N 2 0 356.489 3.437 40 0 FGABRP C[NH+](C)CCn1nc([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310619 497402482 /nfs/dbraw/zinc/40/24/82/497402482.db2.gz UFXHLBPWUVIAKZ-MSOLQXFVSA-N 2 0 353.514 3.139 40 0 FGABRP c1ccc(CC[n+]2ccc(-c3cc[n+](CCc4ccccn4)cc3)cc2)nc1 ZINC000008701082 204338578 /nfs/dbraw/zinc/33/85/78/204338578.db2.gz MUKKSFWIHOZIDC-UHFFFAOYSA-N 2 0 368.484 3.204 40 0 FGABRP COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1C[NH+](C)C ZINC000012240559 494217177 /nfs/dbraw/zinc/21/71/77/494217177.db2.gz HMEURGKQFNTTOF-UHFFFAOYSA-N 2 0 372.484 3.380 40 0 FGABRP Cc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234942 494439149 /nfs/dbraw/zinc/43/91/49/494439149.db2.gz GBFMMZJHZIAGOT-LJQANCHMSA-N 2 0 363.509 3.291 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051794 494999491 /nfs/dbraw/zinc/99/94/91/494999491.db2.gz ATGWUONFOAHKOT-HXUWFJFHSA-N 2 0 369.509 3.486 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096051785 495000274 /nfs/dbraw/zinc/00/02/74/495000274.db2.gz MDCUBZPLSOZCGN-LJQANCHMSA-N 2 0 355.482 3.178 40 0 FGABRP CCn1cc(C[N@@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000072394188 494163387 /nfs/dbraw/zinc/16/33/87/494163387.db2.gz NGNQGHMVEWLKGJ-UHFFFAOYSA-N 2 0 368.525 3.379 40 0 FGABRP C[N@@H+]1CCc2nc([C@H]3CCC[NH+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451440 /nfs/dbraw/zinc/45/14/40/494451440.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 2 0 373.504 3.392 40 0 FGABRP C[N@@H+]1CCc2nc([C@@H]3CCC[NH+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451718 /nfs/dbraw/zinc/45/17/18/494451718.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 2 0 373.504 3.392 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](Cc1ccco1)CC2 ZINC000096207729 495006722 /nfs/dbraw/zinc/00/67/22/495006722.db2.gz HVGYOORDIPSGKO-LJQANCHMSA-N 2 0 355.482 3.178 40 0 FGABRP CC[NH+](CC)CCOC(=O)[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000001593620 204013770 /nfs/dbraw/zinc/01/37/70/204013770.db2.gz LUQJIYUTAWQCPL-NRFANRHFSA-N 2 0 354.494 3.445 40 0 FGABRP [NH3+]Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C[NH3+])c3)cc2)c1 ZINC000255186956 497360750 /nfs/dbraw/zinc/36/07/50/497360750.db2.gz AHICVONIIGCRNA-UHFFFAOYSA-N 2 0 374.444 3.109 40 0 FGABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[NH+]2CCCCC2)c1 ZINC000257341465 497404798 /nfs/dbraw/zinc/40/47/98/497404798.db2.gz ZKLNYAUFTPLAPF-UHFFFAOYSA-N 2 0 366.509 3.026 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023699 /nfs/dbraw/zinc/02/36/99/206023699.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 2 0 352.544 3.147 40 0 FGABRP Cn1cc(C[N@@H+]2Cc3ccccc3OC3(CCC(C[NH+](C)C)CC3)C2)cn1 ZINC000012122663 494207351 /nfs/dbraw/zinc/20/73/51/494207351.db2.gz LSAODQOLHXZSQZ-UHFFFAOYSA-N 2 0 368.525 3.305 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999576 /nfs/dbraw/zinc/99/95/76/494999576.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 2 0 352.544 3.004 40 0 FGABRP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)c1 ZINC000096215673 495007937 /nfs/dbraw/zinc/00/79/37/495007937.db2.gz BKVRVNRFLQHYMD-JOCHJYFZSA-N 2 0 357.542 3.079 40 0 FGABRP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC000096249680 495008819 /nfs/dbraw/zinc/00/88/19/495008819.db2.gz RQNIPJLBERDSPM-UYAOXDASSA-N 2 0 357.523 3.174 40 0 FGABRP COC[C@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103880 507570075 /nfs/dbraw/zinc/57/00/75/507570075.db2.gz SUCYFXGSTNOBQS-LJQANCHMSA-N 2 0 369.509 3.344 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999519 /nfs/dbraw/zinc/99/95/19/494999519.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 2 0 352.544 3.147 40 0 FGABRP Cc1ccc([C@@H](C)CC[NH2+]C[C@H]2CC[C@@]3(COCC[N@@H+](C(C)C)C3)O2)o1 ZINC000247904698 496926741 /nfs/dbraw/zinc/92/67/41/496926741.db2.gz JKSGYUVYDVUQAA-FBBABVLZSA-N 2 0 364.530 3.330 40 0 FGABRP Cc1ncc(CN(C)C)c([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331961 497403392 /nfs/dbraw/zinc/40/33/92/497403392.db2.gz XVCGATLBJWXVKM-LJQANCHMSA-N 2 0 358.461 3.202 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103658 507571408 /nfs/dbraw/zinc/57/14/08/507571408.db2.gz QTEIIGFWKSHLQB-NRFANRHFSA-N 2 0 365.521 3.442 40 0 FGABRP C[NH+]1CCC(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000113935300 206092296 /nfs/dbraw/zinc/09/22/96/206092296.db2.gz UINFYQNADUTBAB-UHFFFAOYSA-N 2 0 363.505 3.069 40 0 FGABRP CCOc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019533211 494447780 /nfs/dbraw/zinc/44/77/80/494447780.db2.gz SPCPLCITMQLUNV-UHFFFAOYSA-N 2 0 366.509 3.243 40 0 FGABRP C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000095532314 494989184 /nfs/dbraw/zinc/98/91/84/494989184.db2.gz NVTJKEARUOGBES-VJBWXMMDSA-N 2 0 365.565 3.481 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000342 /nfs/dbraw/zinc/00/03/42/495000342.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 2 0 352.544 3.004 40 0 FGABRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)c1 ZINC000096215139 495007964 /nfs/dbraw/zinc/00/79/64/495007964.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 2 0 355.526 3.185 40 0 FGABRP CC(=O)N1CCC2(CC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000096268706 495008521 /nfs/dbraw/zinc/00/85/21/495008521.db2.gz ARUZGUPSFJUPFW-UHFFFAOYSA-N 2 0 369.553 3.233 40 0 FGABRP C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)n1 ZINC000329046981 499025889 /nfs/dbraw/zinc/02/58/89/499025889.db2.gz UDNBMXFNKLYEKV-UHFFFAOYSA-N 2 0 363.868 3.098 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048071 494998427 /nfs/dbraw/zinc/99/84/27/494998427.db2.gz FLDVUBKCBKMQGF-SFHVURJKSA-N 2 0 357.523 3.399 40 0 FGABRP COc1ccc(C2([NH2+]CC(C)(C)CN3CC[NH+](C)CC3)CCCC2)cc1 ZINC000023247889 494559115 /nfs/dbraw/zinc/55/91/15/494559115.db2.gz ZPQOCRNCTAEFMF-UHFFFAOYSA-N 2 0 359.558 3.328 40 0 FGABRP Cn1cncc1CN1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211763 497390066 /nfs/dbraw/zinc/39/00/66/497390066.db2.gz CAHLFJFYFJJSTE-ZJOUEHCJSA-N 2 0 370.472 3.324 40 0 FGABRP Cc1nccn1Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260892806 497407210 /nfs/dbraw/zinc/40/72/10/497407210.db2.gz DRELPHFGBHEDGY-KRWDZBQOSA-N 2 0 354.498 3.092 40 0 FGABRP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124520 498736413 /nfs/dbraw/zinc/73/64/13/498736413.db2.gz BSKJYOTXXKISIE-PKOBYXMFSA-N 2 0 352.906 3.088 40 0 FGABRP COc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000100768878 209217303 /nfs/dbraw/zinc/21/73/03/209217303.db2.gz UEOLIZQBAZVJDX-SLYNCCJLSA-N 2 0 373.541 3.104 40 0 FGABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047978 209100430 /nfs/dbraw/zinc/10/04/30/209100430.db2.gz DMWHUJZRQITVLD-LJQANCHMSA-N 2 0 357.523 3.399 40 0 FGABRP [NH3+]CCn1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293387 494440871 /nfs/dbraw/zinc/44/08/71/494440871.db2.gz MZTICSVXNQGYSW-HNNXBMFYSA-N 2 0 355.873 3.033 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096208104 209134216 /nfs/dbraw/zinc/13/42/16/209134216.db2.gz DWIAHKPKJPYAOT-LJQANCHMSA-N 2 0 355.482 3.178 40 0 FGABRP CC[NH+](CC)CCOC(=O)[C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000031961894 208020887 /nfs/dbraw/zinc/02/08/87/208020887.db2.gz LUQJIYUTAWQCPL-OAQYLSRUSA-N 2 0 354.494 3.445 40 0 FGABRP [NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348806 494441810 /nfs/dbraw/zinc/44/18/10/494441810.db2.gz UJRIRDBKKZRMPD-OAHLLOKOSA-N 2 0 355.873 3.033 40 0 FGABRP Cc1ncsc1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390948 /nfs/dbraw/zinc/39/09/48/497390948.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 0 357.523 3.053 40 0 FGABRP Cc1cc(CC[C@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257322379 497403990 /nfs/dbraw/zinc/40/39/90/497403990.db2.gz WFSVHGBAUBFGAP-LJQANCHMSA-N 2 0 358.507 3.391 40 0 FGABRP [NH3+]CCn1nc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348808 494442242 /nfs/dbraw/zinc/44/22/42/494442242.db2.gz UJRIRDBKKZRMPD-HNNXBMFYSA-N 2 0 355.873 3.033 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000019698295 494454923 /nfs/dbraw/zinc/45/49/23/494454923.db2.gz VZWASCMHABGQPT-NRFANRHFSA-N 2 0 370.541 3.386 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103876 507571180 /nfs/dbraw/zinc/57/11/80/507571180.db2.gz SUCYFXGSTNOBQS-IBGZPJMESA-N 2 0 369.509 3.344 40 0 FGABRP CCc1ncc(C[N@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cn1 ZINC000019523288 494447856 /nfs/dbraw/zinc/44/78/56/494447856.db2.gz JHMAYBRHKHCKQT-UHFFFAOYSA-N 2 0 366.509 3.334 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000019698296 494454700 /nfs/dbraw/zinc/45/47/00/494454700.db2.gz VZWASCMHABGQPT-OAQYLSRUSA-N 2 0 370.541 3.386 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](Cc1ccco1)CC2 ZINC000096207728 209134192 /nfs/dbraw/zinc/13/41/92/209134192.db2.gz HVGYOORDIPSGKO-IBGZPJMESA-N 2 0 355.482 3.178 40 0 FGABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047975 209100860 /nfs/dbraw/zinc/10/08/60/209100860.db2.gz CEIZHMUPPUKTDE-SFHVURJKSA-N 2 0 357.523 3.399 40 0 FGABRP C[N@@H+]1CCc2nc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)ncc2C1 ZINC000019590715 494450999 /nfs/dbraw/zinc/45/09/99/494450999.db2.gz CBXLOWJQMQFJOT-UHFFFAOYSA-N 2 0 356.901 3.498 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)C2CCCCC2)[nH+]1 ZINC000019698138 494454725 /nfs/dbraw/zinc/45/47/25/494454725.db2.gz XOSVLSDYWVUUOI-OAQYLSRUSA-N 2 0 370.541 3.386 40 0 FGABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102708 507568480 /nfs/dbraw/zinc/56/84/80/507568480.db2.gz BGCBMQWRQWCAGS-QGZVFWFLSA-N 2 0 364.555 3.088 40 0 FGABRP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019900084 518577680 /nfs/dbraw/zinc/57/76/80/518577680.db2.gz WRMZIXYYJUVUQD-XPWALMASSA-N 2 0 365.565 3.481 40 0 FGABRP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](C3CCCC3)CC2)cc(C)[nH+]1 ZINC000019698254 494455519 /nfs/dbraw/zinc/45/55/19/494455519.db2.gz ZRGSPUWUHSYFTB-NRFANRHFSA-N 2 0 356.514 3.138 40 0 FGABRP COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323608 497403510 /nfs/dbraw/zinc/40/35/10/497403510.db2.gz WLBKMNULAOWOCF-FQEVSTJZSA-N 2 0 372.509 3.191 40 0 FGABRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)OCO3)Cc1ccccc12 ZINC000096242387 222097410 /nfs/dbraw/zinc/09/74/10/222097410.db2.gz DFLYSNUXMGIASF-UHFFFAOYSA-N 2 0 350.462 3.395 40 0 FGABRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039747842 263399726 /nfs/dbraw/zinc/39/97/26/263399726.db2.gz PSEWDRXVCDBVHD-UHFFFAOYSA-N 2 0 361.505 3.030 40 0 FGABRP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3cccc4ccccc43)C2)O1 ZINC000306142394 210057727 /nfs/dbraw/zinc/05/77/27/210057727.db2.gz WYJLVFPJOJSAGE-IRLDBZIGSA-N 2 0 354.494 3.151 40 0 FGABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000257226235 223027883 /nfs/dbraw/zinc/02/78/83/223027883.db2.gz FJSUZEUAYLZTIY-IBGZPJMESA-N 2 0 366.509 3.024 40 0 FGABRP OCC[N@H+](Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371509 211218842 /nfs/dbraw/zinc/21/88/42/211218842.db2.gz AYIJLZVSEQULGJ-GOSISDBHSA-N 2 0 364.493 3.024 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240365 222095859 /nfs/dbraw/zinc/09/58/59/222095859.db2.gz VGHFRVMDUFRUCU-FQEVSTJZSA-N 2 0 355.482 3.178 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208108 222078894 /nfs/dbraw/zinc/07/88/94/222078894.db2.gz AXJNDWRTFDYLAG-FQEVSTJZSA-N 2 0 355.482 3.178 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247940451 496930037 /nfs/dbraw/zinc/93/00/37/496930037.db2.gz GCSYFPPUXXQFKM-SFHVURJKSA-N 2 0 363.571 3.412 40 0 FGABRP COC[C@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585104083 507571345 /nfs/dbraw/zinc/57/13/45/507571345.db2.gz VXWFKEMOZRJRJP-JOCHJYFZSA-N 2 0 372.553 3.274 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208116 222078309 /nfs/dbraw/zinc/07/83/09/222078309.db2.gz AKALAZBMSICJPZ-FQEVSTJZSA-N 2 0 355.482 3.178 40 0 FGABRP Brc1cccc[n+]1CCCC[n+]1ccccc1Br ZINC000001677062 210365387 /nfs/dbraw/zinc/36/53/87/210365387.db2.gz IGNNTLQHDHRQMF-UHFFFAOYSA-N 2 0 372.104 3.267 40 0 FGABRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000012182479 494211275 /nfs/dbraw/zinc/21/12/75/494211275.db2.gz HYEZEWCLYUNMDE-CTNGQTDRSA-N 2 0 373.447 3.136 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000247828286 496919266 /nfs/dbraw/zinc/91/92/66/496919266.db2.gz GNTRDVKQVAFNEV-QFIPXVFZSA-N 2 0 365.521 3.442 40 0 FGABRP C[NH+](C)CCn1nc([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583280 211239102 /nfs/dbraw/zinc/23/91/02/211239102.db2.gz UFXHLBPWUVIAKZ-ZWKOTPCHSA-N 2 0 353.514 3.139 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051795 222003887 /nfs/dbraw/zinc/00/38/87/222003887.db2.gz ATGWUONFOAHKOT-FQEVSTJZSA-N 2 0 369.509 3.486 40 0 FGABRP C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047974 494998289 /nfs/dbraw/zinc/99/82/89/494998289.db2.gz CEIZHMUPPUKTDE-GOSISDBHSA-N 2 0 357.523 3.399 40 0 FGABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000257226236 223027501 /nfs/dbraw/zinc/02/75/01/223027501.db2.gz FJSUZEUAYLZTIY-LJQANCHMSA-N 2 0 366.509 3.024 40 0 FGABRP O=C([C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019659668 211243340 /nfs/dbraw/zinc/24/33/40/211243340.db2.gz YDLSLTVBMWCJDC-OAQYLSRUSA-N 2 0 355.526 3.300 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048078 494998577 /nfs/dbraw/zinc/99/85/77/494998577.db2.gz KJKPHSOCANYJJO-IBGZPJMESA-N 2 0 355.482 3.239 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048045 494998683 /nfs/dbraw/zinc/99/86/83/494998683.db2.gz UQNUZWDFTFDJSL-SFHVURJKSA-N 2 0 357.523 3.399 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000248133161 496959851 /nfs/dbraw/zinc/95/98/51/496959851.db2.gz ZMBXCULGPJBGAW-FQEVSTJZSA-N 2 0 369.509 3.344 40 0 FGABRP COc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000257310306 497402612 /nfs/dbraw/zinc/40/26/12/497402612.db2.gz UEOLIZQBAZVJDX-YFVAEKQCSA-N 2 0 373.541 3.104 40 0 FGABRP COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323609 497404122 /nfs/dbraw/zinc/40/41/22/497404122.db2.gz WLBKMNULAOWOCF-HXUWFJFHSA-N 2 0 372.509 3.191 40 0 FGABRP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)C[NH+](C)C)C2)[nH+]1 ZINC000257225778 223028401 /nfs/dbraw/zinc/02/84/01/223028401.db2.gz FHTKTNBGVFAUCC-HNNXBMFYSA-N 2 0 356.445 3.150 40 0 FGABRP C[N@@H+]1CCc2nc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)ncc2C1 ZINC000019590714 211240352 /nfs/dbraw/zinc/24/03/52/211240352.db2.gz UGMJSSNECTTXSF-UHFFFAOYSA-N 2 0 373.504 3.392 40 0 FGABRP CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759956 494460466 /nfs/dbraw/zinc/46/04/66/494460466.db2.gz KDOYBQVJEUSBEL-LJQANCHMSA-N 2 0 362.481 3.123 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048074 494998732 /nfs/dbraw/zinc/99/87/32/494998732.db2.gz ZSEFMFNQHRMMOY-LJQANCHMSA-N 2 0 357.523 3.399 40 0 FGABRP C[NH2+]CCCNc1cc(C)[nH+]c2ccc(I)cc12 ZINC000222688062 222745190 /nfs/dbraw/zinc/74/51/90/222745190.db2.gz LNEHHAAUYJMFLR-UHFFFAOYSA-N 2 0 355.223 3.169 40 0 FGABRP CCOc1ccc(CN2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019533364 220268834 /nfs/dbraw/zinc/26/88/34/220268834.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 2 0 366.509 3.243 40 0 FGABRP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](CC(C)(C)C)CC2)cc(C)[nH+]1 ZINC000019698272 494455508 /nfs/dbraw/zinc/45/55/08/494455508.db2.gz YMVPEFLVGGIGFD-FQEVSTJZSA-N 2 0 358.530 3.242 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102707 507567539 /nfs/dbraw/zinc/56/75/39/507567539.db2.gz BGCBMQWRQWCAGS-KRWDZBQOSA-N 2 0 364.555 3.088 40 0 FGABRP [NH3+]CCc1ccc(C(=O)N2CCCC[C@@H]3[NH2+][C@H](c4ccccc4)C[C@H]32)cc1 ZINC000257294648 534652910 /nfs/dbraw/zinc/65/29/10/534652910.db2.gz QVBDBNRDINKOJH-FDFHNCONSA-N 2 0 363.505 3.286 40 0 FGABRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000022031820 220374744 /nfs/dbraw/zinc/37/47/44/220374744.db2.gz WRMZIXYYJUVUQD-YTFSRNRJSA-N 2 0 365.565 3.481 40 0 FGABRP COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247940443 496930361 /nfs/dbraw/zinc/93/03/61/496930361.db2.gz GCSYFPPUXXQFKM-GOSISDBHSA-N 2 0 363.571 3.412 40 0 FGABRP C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019900082 518578623 /nfs/dbraw/zinc/57/86/23/518578623.db2.gz WRMZIXYYJUVUQD-VJBWXMMDSA-N 2 0 365.565 3.481 40 0 FGABRP C[NH+](C)CCn1cc2c(n1)-c1ccccc1OC21CC[NH+](CC2CC2)CC1 ZINC000306141761 223113346 /nfs/dbraw/zinc/11/33/46/223113346.db2.gz WFQWOUFSRWOECR-UHFFFAOYSA-N 2 0 366.509 3.205 40 0 FGABRP Cn1cncc1C[NH2+][C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241468 222097293 /nfs/dbraw/zinc/09/72/93/222097293.db2.gz RIQQDUPCXCSBJT-OAQYLSRUSA-N 2 0 350.510 3.398 40 0 FGABRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)c1 ZINC000096215165 222080627 /nfs/dbraw/zinc/08/06/27/222080627.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 2 0 355.526 3.185 40 0 FGABRP c1ccc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)nc1 ZINC000096220286 222083113 /nfs/dbraw/zinc/08/31/13/222083113.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 2 0 355.526 3.042 40 0 FGABRP Cc1nc2c(n1CC1CC1)CN(Cc1nccs1)CC21CC[NH+](C)CC1 ZINC000306123118 498736453 /nfs/dbraw/zinc/73/64/53/498736453.db2.gz AEXDEPYXEQKLJD-UHFFFAOYSA-N 2 0 371.554 3.037 40 0 FGABRP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004571 /nfs/dbraw/zinc/00/45/71/222004571.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 2 0 357.523 3.174 40 0 FGABRP c1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CC21CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096241479 222097184 /nfs/dbraw/zinc/09/71/84/222097184.db2.gz OKRUAJGNHSHCQR-AVRDEDQJSA-N 2 0 370.537 3.270 40 0 FGABRP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000009062606 494112428 /nfs/dbraw/zinc/11/24/28/494112428.db2.gz BQRFSIQCTPYAFP-UHFFFAOYSA-N 2 0 357.542 3.199 40 0 FGABRP COc1ccccc1N1CCN(C2CC[NH+]([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 ZINC000101873919 132234537 /nfs/dbraw/zinc/23/45/37/132234537.db2.gz HGIWURKGWWERTO-XQBPLPMBSA-N 2 0 369.553 3.470 40 0 FGABRP c1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CC21CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096241481 222096526 /nfs/dbraw/zinc/09/65/26/222096526.db2.gz OKRUAJGNHSHCQR-GCJKJVERSA-N 2 0 370.537 3.270 40 0 FGABRP c1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CC21CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096241480 222097304 /nfs/dbraw/zinc/09/73/04/222097304.db2.gz OKRUAJGNHSHCQR-XMSQKQJNSA-N 2 0 370.537 3.270 40 0 FGABRP CC(C)n1cc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)cn1 ZINC000248163022 496966427 /nfs/dbraw/zinc/96/64/27/496966427.db2.gz YNYXYIKMJOTZQA-FQEVSTJZSA-N 2 0 360.546 3.034 40 0 FGABRP COc1ccccc1C[NH+]1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257279268 534078051 /nfs/dbraw/zinc/07/80/51/534078051.db2.gz OFVMPXDBHIKNPF-UHFFFAOYSA-N 2 0 354.498 3.002 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096051784 222003546 /nfs/dbraw/zinc/00/35/46/222003546.db2.gz MDCUBZPLSOZCGN-IBGZPJMESA-N 2 0 355.482 3.178 40 0 FGABRP Cn1cc(C[NH2+][C@@H]2CC3(CC[NH+](CC4CC4)CC3)c3ccccc32)cn1 ZINC000096079035 222015036 /nfs/dbraw/zinc/01/50/36/222015036.db2.gz UXOKDUQGSISWEQ-OAQYLSRUSA-N 2 0 350.510 3.398 40 0 FGABRP C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096218042 222082557 /nfs/dbraw/zinc/08/25/57/222082557.db2.gz SEZDSOYMOFHVGJ-RBBKRZOGSA-N 2 0 351.494 3.052 40 0 FGABRP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000247828285 496919038 /nfs/dbraw/zinc/91/90/38/496919038.db2.gz GNTRDVKQVAFNEV-JOCHJYFZSA-N 2 0 365.521 3.442 40 0 FGABRP C[NH+](C)CC1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)Cc1ccccc1O2 ZINC000012122641 494207372 /nfs/dbraw/zinc/20/73/72/494207372.db2.gz BDJVYOPIPCQDPB-LVIWNVNYSA-N 2 0 358.526 3.408 40 0 FGABRP Cc1ccccc1C[N@H+]1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019237162 494439280 /nfs/dbraw/zinc/43/92/80/494439280.db2.gz ZXIBUISPYAABNN-IBGZPJMESA-N 2 0 363.509 3.291 40 0 FGABRP [NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293386 494440729 /nfs/dbraw/zinc/44/07/29/494440729.db2.gz MZTICSVXNQGYSW-OAHLLOKOSA-N 2 0 355.873 3.033 40 0 FGABRP CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759954 494460414 /nfs/dbraw/zinc/46/04/14/494460414.db2.gz KDOYBQVJEUSBEL-IBGZPJMESA-N 2 0 362.481 3.123 40 0 FGABRP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158678 495005404 /nfs/dbraw/zinc/00/54/04/495005404.db2.gz CRTBVDPALYSELM-QGZVFWFLSA-N 2 0 359.470 3.140 40 0 FGABRP COc1cccc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)c1 ZINC000257327319 497403536 /nfs/dbraw/zinc/40/35/36/497403536.db2.gz XAXVHKFPKDEIGJ-UHFFFAOYSA-N 2 0 354.498 3.002 40 0 FGABRP C[C@@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262190970 497522109 /nfs/dbraw/zinc/52/21/09/497522109.db2.gz CFVKHVJQNDCBNV-WQWLHFTFSA-N 2 0 369.553 3.263 40 0 FGABRP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000009062579 494112474 /nfs/dbraw/zinc/11/24/74/494112474.db2.gz VYPCVQVBPUMDOF-UHFFFAOYSA-N 2 0 357.542 3.199 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048079 494998761 /nfs/dbraw/zinc/99/87/61/494998761.db2.gz KJKPHSOCANYJJO-LJQANCHMSA-N 2 0 355.482 3.239 40 0 FGABRP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585104127 507570561 /nfs/dbraw/zinc/57/05/61/507570561.db2.gz WSCKQRJJBLEEKB-GOSISDBHSA-N 2 0 364.555 3.088 40 0 FGABRP CC[NH+](CC)CCN(CC[NH+](CC)CC)c1c(OC)cccc1OC ZINC000005052199 204187864 /nfs/dbraw/zinc/18/78/64/204187864.db2.gz PLAWPZMNERIQEE-UHFFFAOYSA-N 2 0 351.535 3.194 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048050 494998091 /nfs/dbraw/zinc/99/80/91/494998091.db2.gz BSNWHPPWSAAKDD-IBGZPJMESA-N 2 0 355.482 3.239 40 0 FGABRP Cn1ccnc1C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158404 495005754 /nfs/dbraw/zinc/00/57/54/495005754.db2.gz FKNOSSOZQDCDBJ-UHFFFAOYSA-N 2 0 356.489 3.437 40 0 FGABRP Cn1cncc1C[NH2+][C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241469 495008434 /nfs/dbraw/zinc/00/84/34/495008434.db2.gz RIQQDUPCXCSBJT-NRFANRHFSA-N 2 0 350.510 3.398 40 0 FGABRP COc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000100768876 495066457 /nfs/dbraw/zinc/06/64/57/495066457.db2.gz UEOLIZQBAZVJDX-DSKINZAPSA-N 2 0 373.541 3.104 40 0 FGABRP COc1cccc(CN2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)c1F ZINC000257212356 497390904 /nfs/dbraw/zinc/39/09/04/497390904.db2.gz CDAOYXRAPIMWFB-QGZVFWFLSA-N 2 0 358.461 3.331 40 0 FGABRP CC(C)[N@@H+]1CCOC[C@]2(CC[C@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124519 498737277 /nfs/dbraw/zinc/73/72/77/498737277.db2.gz BSKJYOTXXKISIE-MJGOQNOKSA-N 2 0 352.906 3.088 40 0 FGABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000257244896 497394381 /nfs/dbraw/zinc/39/43/81/497394381.db2.gz INHADHGKPUCPFM-IBGZPJMESA-N 2 0 366.509 3.024 40 0 FGABRP O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000585289578 507586678 /nfs/dbraw/zinc/58/66/78/507586678.db2.gz KGVOFHALGJJQDC-IPMKNSEASA-N 2 0 352.906 3.076 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999914 /nfs/dbraw/zinc/99/99/14/494999914.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 2 0 352.544 3.147 40 0 FGABRP CCCCCC[NH2+]CCOCCOCCOCC[NH2+]CCCCCC ZINC000005418104 204207956 /nfs/dbraw/zinc/20/79/56/204207956.db2.gz BXROLSCTSYNWLE-UHFFFAOYSA-N 2 0 360.583 3.376 40 0 FGABRP COCC[NH2+][C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096079057 495001282 /nfs/dbraw/zinc/00/12/82/495001282.db2.gz MTQVTZKPPOHIDS-GOSISDBHSA-N 2 0 357.523 3.358 40 0 FGABRP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)[nH+]1 ZINC000257225779 497393778 /nfs/dbraw/zinc/39/37/78/497393778.db2.gz FHTKTNBGVFAUCC-OAHLLOKOSA-N 2 0 356.445 3.150 40 0 FGABRP Cc1cc(CSC2=[NH+]CCCN2)c(C)cc1CSC1=[NH+]CCCN1 ZINC000001735994 204018842 /nfs/dbraw/zinc/01/88/42/204018842.db2.gz QSPKCMFDMGDZFH-UHFFFAOYSA-N 2 0 362.568 3.468 40 0 FGABRP Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000039772631 494124220 /nfs/dbraw/zinc/12/42/20/494124220.db2.gz CQOFGMVKCOGBGH-UHFFFAOYSA-N 2 0 357.542 3.199 40 0 FGABRP Cn1cc(C[N@@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019290715 494440926 /nfs/dbraw/zinc/44/09/26/494440926.db2.gz FKFHFZVSUMTRTC-UHFFFAOYSA-N 2 0 354.498 3.058 40 0 FGABRP c1ccc(C[NH+]2CCC(N3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019358976 494443266 /nfs/dbraw/zinc/44/32/66/494443266.db2.gz JNKXPMBILDDJDN-XJUOHMSHSA-N 2 0 353.554 3.457 40 0 FGABRP NC(=[NH2+])c1ccc(OCCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000001705403 493797682 /nfs/dbraw/zinc/79/76/82/493797682.db2.gz OQLKNTOKMBVBKV-UHFFFAOYSA-N 2 0 354.454 3.273 40 0 in-man FGABRP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000095532315 494989101 /nfs/dbraw/zinc/98/91/01/494989101.db2.gz NVTJKEARUOGBES-XPWALMASSA-N 2 0 365.565 3.481 40 0 FGABRP CC(C)[N@@H+]1CCOC[C@]2(CC[C@@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124517 498736824 /nfs/dbraw/zinc/73/68/24/498736824.db2.gz BSKJYOTXXKISIE-HKUYNNGSSA-N 2 0 352.906 3.088 40 0 FGABRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)c1 ZINC000096220308 209137389 /nfs/dbraw/zinc/13/73/89/209137389.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 2 0 355.526 3.042 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208109 209134150 /nfs/dbraw/zinc/13/41/50/209134150.db2.gz AXJNDWRTFDYLAG-HXUWFJFHSA-N 2 0 355.482 3.178 40 0 FGABRP [NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019346712 494442073 /nfs/dbraw/zinc/44/20/73/494442073.db2.gz LDJBEHICXNCXGQ-CQSZACIVSA-N 2 0 373.863 3.172 40 0 FGABRP OCC[N@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000019371513 494443725 /nfs/dbraw/zinc/44/37/25/494443725.db2.gz NCBOFECIOWPFCB-UHFFFAOYSA-N 2 0 364.493 3.024 40 0 FGABRP C[C@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000262190968 497522991 /nfs/dbraw/zinc/52/29/91/497522991.db2.gz CFVKHVJQNDCBNV-OGQGWYMCSA-N 2 0 369.553 3.263 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048048 209100077 /nfs/dbraw/zinc/10/00/77/209100077.db2.gz OKBOQWBGXBHNDZ-LJQANCHMSA-N 2 0 357.523 3.399 40 0 FGABRP c1cc(CSC2=[NH+]CCN2)c2cccc(CSC3=[NH+]CCN3)c2c1 ZINC000001667557 493798147 /nfs/dbraw/zinc/79/81/47/493798147.db2.gz IPPPIRUBOKRJRW-UHFFFAOYSA-N 2 0 356.520 3.225 40 0 FGABRP Cc1ccc2scc(CC(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)c2c1 ZINC000012238228 494216009 /nfs/dbraw/zinc/21/60/09/494216009.db2.gz MZIUWNXKGLWHMS-UHFFFAOYSA-N 2 0 373.566 3.237 40 0 FGABRP C[N@@H+]1CCc2nc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)ncc2C1 ZINC000019590723 494451614 /nfs/dbraw/zinc/45/16/14/494451614.db2.gz BEJBVRPPGCWZIF-UHFFFAOYSA-N 2 0 373.504 3.392 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964487 /nfs/dbraw/zinc/96/44/87/496964487.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 2 0 352.544 3.004 40 0 FGABRP [NH3+]Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C[NH3+])c3)c2)c1 ZINC000255187479 497361160 /nfs/dbraw/zinc/36/11/60/497361160.db2.gz DUCHBUCNUNFADD-UHFFFAOYSA-N 2 0 374.444 3.109 40 0 FGABRP COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585104101 507571308 /nfs/dbraw/zinc/57/13/08/507571308.db2.gz VXWFKEMOZRJRJP-QFIPXVFZSA-N 2 0 372.553 3.274 40 0 FGABRP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158677 209127888 /nfs/dbraw/zinc/12/78/88/209127888.db2.gz CRTBVDPALYSELM-KRWDZBQOSA-N 2 0 359.470 3.140 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048044 209100653 /nfs/dbraw/zinc/10/06/53/209100653.db2.gz UQNUZWDFTFDJSL-GOSISDBHSA-N 2 0 357.523 3.399 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048070 209101061 /nfs/dbraw/zinc/10/10/61/209101061.db2.gz FLDVUBKCBKMQGF-GOSISDBHSA-N 2 0 357.523 3.399 40 0 FGABRP C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047979 209100303 /nfs/dbraw/zinc/10/03/03/209100303.db2.gz DMWHUJZRQITVLD-IBGZPJMESA-N 2 0 357.523 3.399 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)C2CCCCC2)[nH+]1 ZINC000019698137 494455451 /nfs/dbraw/zinc/45/54/51/494455451.db2.gz XOSVLSDYWVUUOI-NRFANRHFSA-N 2 0 370.541 3.386 40 0 FGABRP COc1ccccc1C1([NH2+]CC(C)(C)CN2CC[NH+](C)CC2)CCCC1 ZINC000023247888 494558653 /nfs/dbraw/zinc/55/86/53/494558653.db2.gz UTAXLMRGDZWDCT-UHFFFAOYSA-N 2 0 359.558 3.328 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047982 209100741 /nfs/dbraw/zinc/10/07/41/209100741.db2.gz XHHFMLOAVRPGOP-IBGZPJMESA-N 2 0 355.482 3.239 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047983 209100666 /nfs/dbraw/zinc/10/06/66/209100666.db2.gz XHHFMLOAVRPGOP-LJQANCHMSA-N 2 0 355.482 3.239 40 0 FGABRP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019134001 494437148 /nfs/dbraw/zinc/43/71/48/494437148.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 2 0 366.509 3.161 40 0 FGABRP C[NH+](C)CCn1nc([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583283 494451315 /nfs/dbraw/zinc/45/13/15/494451315.db2.gz UFXHLBPWUVIAKZ-ROUUACIJSA-N 2 0 353.514 3.139 40 0 FGABRP CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](C3CCCC3)CC2)cc(C)[nH+]1 ZINC000019698253 494455317 /nfs/dbraw/zinc/45/53/17/494455317.db2.gz ZRGSPUWUHSYFTB-OAQYLSRUSA-N 2 0 356.514 3.138 40 0 FGABRP COCC[NH2+][C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096079058 209108072 /nfs/dbraw/zinc/10/80/72/209108072.db2.gz MTQVTZKPPOHIDS-SFHVURJKSA-N 2 0 357.523 3.358 40 0 FGABRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039757091 494123693 /nfs/dbraw/zinc/12/36/93/494123693.db2.gz VUEFWJXGQXDUEJ-UHFFFAOYSA-N 2 0 361.505 3.030 40 0 FGABRP Cc1ccccc1C[N@H+]1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019237161 494439236 /nfs/dbraw/zinc/43/92/36/494439236.db2.gz ZXIBUISPYAABNN-LJQANCHMSA-N 2 0 363.509 3.291 40 0 FGABRP c1ccc(C[NH+]2CCC(N3CC[NH+]([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000019361697 494443544 /nfs/dbraw/zinc/44/35/44/494443544.db2.gz JNKXPMBILDDJDN-QZNHQXDQSA-N 2 0 353.554 3.457 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048083 209100462 /nfs/dbraw/zinc/10/04/62/209100462.db2.gz USMMEIKCFYMOMW-NRFANRHFSA-N 2 0 369.484 3.476 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048054 209099826 /nfs/dbraw/zinc/09/98/26/209099826.db2.gz OUUVDMGXIQMNNV-OAQYLSRUSA-N 2 0 369.484 3.476 40 0 FGABRP C[NH+](C)CC1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)Cc1ccccc1O2 ZINC000012122646 494207385 /nfs/dbraw/zinc/20/73/85/494207385.db2.gz BDJVYOPIPCQDPB-GSVIPDFHSA-N 2 0 358.526 3.408 40 0 FGABRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238744 /nfs/dbraw/zinc/23/87/44/211238744.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 2 0 357.498 3.274 40 0 FGABRP C[NH+](C)CCn1nc([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310620 497401700 /nfs/dbraw/zinc/40/17/00/497401700.db2.gz UFXHLBPWUVIAKZ-QZTJIDSGSA-N 2 0 353.514 3.139 40 0 FGABRP c1ccc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)nc1 ZINC000096218080 222081889 /nfs/dbraw/zinc/08/18/89/222081889.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 2 0 355.526 3.185 40 0 FGABRP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585104128 507570011 /nfs/dbraw/zinc/57/00/11/507570011.db2.gz WSCKQRJJBLEEKB-SFHVURJKSA-N 2 0 364.555 3.088 40 0 FGABRP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000257244897 223036462 /nfs/dbraw/zinc/03/64/62/223036462.db2.gz INHADHGKPUCPFM-LJQANCHMSA-N 2 0 366.509 3.024 40 0 FGABRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000096158886 222057908 /nfs/dbraw/zinc/05/79/08/222057908.db2.gz GFLFASZKUPTJJU-UHFFFAOYSA-N 2 0 351.494 3.257 40 0 FGABRP C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215179 222080289 /nfs/dbraw/zinc/08/02/89/222080289.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 2 0 351.494 3.052 40 0 FGABRP CCn1ncc(C[N@@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c1C ZINC000072394187 494163532 /nfs/dbraw/zinc/16/35/32/494163532.db2.gz PEOJKIVCLMTDPQ-UHFFFAOYSA-N 2 0 368.525 3.379 40 0 FGABRP COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019134005 211204425 /nfs/dbraw/zinc/20/44/25/211204425.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 2 0 366.509 3.161 40 0 FGABRP c1ccc(C[N@@H+]2C[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC000096244936 222099046 /nfs/dbraw/zinc/09/90/46/222099046.db2.gz ZPFGVAAOABTWTR-UPVQGACJSA-N 2 0 361.533 3.467 40 0 FGABRP C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048075 494998367 /nfs/dbraw/zinc/99/83/67/494998367.db2.gz ZSEFMFNQHRMMOY-IBGZPJMESA-N 2 0 357.523 3.399 40 0 FGABRP COc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)[NH+]2CCCCC2)cc1 ZINC000257310305 497402008 /nfs/dbraw/zinc/40/20/08/497402008.db2.gz UEOLIZQBAZVJDX-CUWPLCDZSA-N 2 0 373.541 3.104 40 0 FGABRP COC[C@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103801 507571522 /nfs/dbraw/zinc/57/15/22/507571522.db2.gz QTEIIGFWKSHLQB-OAQYLSRUSA-N 2 0 365.521 3.442 40 0 FGABRP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cnn(C)c1C)Cc1ccccc1O2 ZINC000019553784 211229829 /nfs/dbraw/zinc/22/98/29/211229829.db2.gz PBGOYTDDQPCKLT-UHFFFAOYSA-N 2 0 354.498 3.024 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208117 222078785 /nfs/dbraw/zinc/07/87/85/222078785.db2.gz AKALAZBMSICJPZ-HXUWFJFHSA-N 2 0 355.482 3.178 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)C3CCCCC3)C2)[nH+]1 ZINC000019705394 494455392 /nfs/dbraw/zinc/45/53/92/494455392.db2.gz SXSJKDXSSGBFIT-LJQANCHMSA-N 2 0 370.541 3.038 40 0 FGABRP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)c1 ZINC000096215676 222080109 /nfs/dbraw/zinc/08/01/09/222080109.db2.gz BKVRVNRFLQHYMD-QFIPXVFZSA-N 2 0 357.542 3.079 40 0 FGABRP [NH3+]CCn1nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019346714 220251969 /nfs/dbraw/zinc/25/19/69/220251969.db2.gz LDJBEHICXNCXGQ-AWEZNQCLSA-N 2 0 373.863 3.172 40 0 FGABRP Cc1cc2occ(CC(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)c2cc1C ZINC000012238230 494216138 /nfs/dbraw/zinc/21/61/38/494216138.db2.gz IAUQNLOJDFPCEX-UHFFFAOYSA-N 2 0 371.525 3.077 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594912 /nfs/dbraw/zinc/59/49/12/494594912.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 2 0 352.544 3.004 40 0 FGABRP Cc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234943 220241210 /nfs/dbraw/zinc/24/12/10/220241210.db2.gz GBFMMZJHZIAGOT-IBGZPJMESA-N 2 0 363.509 3.291 40 0 FGABRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276360 /nfs/dbraw/zinc/27/63/60/220276360.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 2 0 357.498 3.274 40 0 FGABRP O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019660678 220283999 /nfs/dbraw/zinc/28/39/99/220283999.db2.gz VWOQHHBPMHTNEV-UHFFFAOYSA-N 2 0 369.553 3.028 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048049 494998332 /nfs/dbraw/zinc/99/83/32/494998332.db2.gz OKBOQWBGXBHNDZ-IBGZPJMESA-N 2 0 357.523 3.399 40 0 FGABRP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4cnn(C)c4)CC3)CC2)c1 ZINC000096047242 494998649 /nfs/dbraw/zinc/99/86/49/494998649.db2.gz OYUBRFOEJWKXRX-UHFFFAOYSA-N 2 0 368.525 3.307 40 0 FGABRP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124518 529045854 /nfs/dbraw/zinc/04/58/54/529045854.db2.gz BSKJYOTXXKISIE-IEBWSBKVSA-N 2 0 352.906 3.088 40 0 FGABRP COc1cc(C)ccc1C[NH+]1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019133922 220237686 /nfs/dbraw/zinc/23/76/86/220237686.db2.gz AHRVFOWAIUFCEV-UHFFFAOYSA-N 2 0 366.509 3.161 40 0 FGABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240366 222095951 /nfs/dbraw/zinc/09/59/51/222095951.db2.gz VGHFRVMDUFRUCU-HXUWFJFHSA-N 2 0 355.482 3.178 40 0 FGABRP c1ccc(C[N@H+]2C[C@H]3[C@@H](CN3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000096244935 222099244 /nfs/dbraw/zinc/09/92/44/222099244.db2.gz ZPFGVAAOABTWTR-VWNXMTODSA-N 2 0 361.533 3.467 40 0 FGABRP CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](Cc3ccnn3C)CC2)C1 ZINC000019712763 494456630 /nfs/dbraw/zinc/45/66/30/494456630.db2.gz VOPAJCRVVSEBEW-FPOVZHCZSA-N 2 0 368.525 3.285 40 0 FGABRP OCC[N@H+](Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371511 220252632 /nfs/dbraw/zinc/25/26/32/220252632.db2.gz AYIJLZVSEQULGJ-SFHVURJKSA-N 2 0 364.493 3.024 40 0 FGABRP C[N@@H+]1CCc2nc([C@H]3CCC[NH+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590479 220277838 /nfs/dbraw/zinc/27/78/38/220277838.db2.gz VMPCXXROLLAIIQ-SFHVURJKSA-N 2 0 373.504 3.392 40 0 FGABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048055 222000261 /nfs/dbraw/zinc/00/02/61/222000261.db2.gz OUUVDMGXIQMNNV-NRFANRHFSA-N 2 0 369.484 3.476 40 0 FGABRP C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215986 222081263 /nfs/dbraw/zinc/08/12/63/222081263.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 2 0 351.494 3.052 40 0 FGABRP c1ccc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)nc1 ZINC000096219364 222083814 /nfs/dbraw/zinc/08/38/14/222083814.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 2 0 355.526 3.042 40 0 FGABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048051 494998932 /nfs/dbraw/zinc/99/89/32/494998932.db2.gz BSNWHPPWSAAKDD-LJQANCHMSA-N 2 0 355.482 3.239 40 0 FGABRP CC(C)n1cc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)cn1 ZINC000248163023 496966366 /nfs/dbraw/zinc/96/63/66/496966366.db2.gz YNYXYIKMJOTZQA-HXUWFJFHSA-N 2 0 360.546 3.034 40 0 FGABRP O=C([C@H](c1ccccc1)[NH+]1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019659666 220282857 /nfs/dbraw/zinc/28/28/57/220282857.db2.gz YDLSLTVBMWCJDC-NRFANRHFSA-N 2 0 355.526 3.300 40 0 FGABRP COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004198 /nfs/dbraw/zinc/00/41/98/222004198.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 2 0 370.493 3.257 40 0 FGABRP c1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CC21CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096241478 222096478 /nfs/dbraw/zinc/09/64/78/222096478.db2.gz OKRUAJGNHSHCQR-PGRDOPGGSA-N 2 0 370.537 3.270 40 0 FGABRP COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096208103 222078038 /nfs/dbraw/zinc/07/80/38/222078038.db2.gz DWIAHKPKJPYAOT-IBGZPJMESA-N 2 0 355.482 3.178 40 0 FGABRP C[N@@H+]1CCc2nc([C@@H]3CCC[NH+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590478 220278962 /nfs/dbraw/zinc/27/89/62/220278962.db2.gz VMPCXXROLLAIIQ-GOSISDBHSA-N 2 0 373.504 3.392 40 0 FGABRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)c1 ZINC000096218875 222083708 /nfs/dbraw/zinc/08/37/08/222083708.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 2 0 355.526 3.042 40 0 FGABRP Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCN(C(=O)C3CCCCC3)C2)[nH+]1 ZINC000019705395 494455960 /nfs/dbraw/zinc/45/59/60/494455960.db2.gz SXSJKDXSSGBFIT-IBGZPJMESA-N 2 0 370.541 3.038 40 0 FGABRP COc1cccc(C[NH+]2CCC3(CC[N@H+](CC4CCOCC4)C3)CC2)c1 ZINC000096046653 494998778 /nfs/dbraw/zinc/99/87/78/494998778.db2.gz SOICIGSJJNUEBW-UHFFFAOYSA-N 2 0 358.526 3.410 40 0 FGABRP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000248133167 496960151 /nfs/dbraw/zinc/96/01/51/496960151.db2.gz ZMBXCULGPJBGAW-HXUWFJFHSA-N 2 0 369.509 3.344 40 0 FGABRP Cn1cc(C[NH2+][C@H]2CC3(CC[NH+](CC4CC4)CC3)c3ccccc32)cn1 ZINC000096079036 222015250 /nfs/dbraw/zinc/01/52/50/222015250.db2.gz UXOKDUQGSISWEQ-NRFANRHFSA-N 2 0 350.510 3.398 40 0 FGABRP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948537 /nfs/dbraw/zinc/94/85/37/496948537.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 2 0 352.544 3.147 40 0 FGABRP